[1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine

C12H14N2O — CID 82491574

IUPAC[1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine
SMILESCc1nc2ccc(C3(CN)CC3)cc2o1
InChIInChI=1S/C12H14N2O/c1-8-14-10-3-2-9(6-11(10)15-8)12(7-13)4-5-12/h2-3,6H,4-5,7,13H2,1H3
InChIKeyJXLFBEOVIBWDJV-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.13
Rot. Bonds2

About [1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine

[1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine (PubChem CID 82491574) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is [1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine
PubChem CID82491574
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name[1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine
SMILESCc1nc2ccc(C3(CN)CC3)cc2o1
InChIInChI=1S/C12H14N2O/c1-8-14-10-3-2-9(6-11(10)15-8)12(7-13)4-5-12/h2-3,6H,4-5,7,13H2,1H3
InChIKeyJXLFBEOVIBWDJV-UHFFFAOYSA-N
XLogP2.13
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 116921658
1-(2-methyl-1,3-benzoxazol-6-yl)cyclopentane-1-carbohydrazide
CID 116844450
[1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
CID 115436597
[1-(7-methylnaphthalen-2-yl)cyclopropyl]methanamine
CID 105465206
2-methyl-6-(2-methylpiperazin-2-yl)-1,3-benzoxazole
CID 116856326
[1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117360718
[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine
CID 117434048
[1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropyl]methanamine
CID 116929013
3-methyl-2-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493584
6-iodo-2-methyl-1,3-benzoxazole
CID 119084609
[1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine
CID 117434056
[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine
CID 117462140

Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine (CID 82491574) is [1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine is Cc1nc2ccc(C3(CN)CC3)cc2o1.
What is the InChIKey of [1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine?
The InChIKey is JXLFBEOVIBWDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-14-10-3-2-9(6-11(10)15-8)12(7-13)4-5-12/h2-3,6H,4-5,7,13H2,1H3.
What are the key properties of [1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine?
[1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine has a molecular weight of 202.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine is sourced from PubChem (CID 82491574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).